5-[[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]-1H-1,2,4-triazol-3-olate

Systemtic Name: 5-[[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]-1H-1,2,4-triazol-3-olate Openeye Name: 5-[[2-(2,4-dimethylanilino)-2-oxo-ethyl]sulfanylmethyl]-1H-1,2,4-triazol-3-olate CAS Name: 5-[[[2-(2,4-dimethylanilino)-2-oxoethyl]thio]methyl]-1H-1,2,4-triazol-3-olate IUPAC Name: 5-[[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylmethyl]-1H-1,2,4-triazol-3-olate Traditional Name: 5-[[[2-(2,4-dimethylanilino)-2-keto-ethyl]thio]methyl]-1H-1,2,4-triazol-3-olate Formula: C13H15N4O2S- MolecularWeight: 291.3488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSCC2=NC(=NN2)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSCC2=NC(=NN2)[O-])C

InChI

InChI=1S/C13H16N4O2S/c1-8-3-4-10(9(2)5-8)14-12(18)7-20-6-11-15-13(19)17-16-11/h3-5H,6-7H2,1-2H3,(H,14,18)(H2,15,16,17,19)/p-1